4,10,11-trihydroxyguaiane (CHEBI:206445)

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CHEBI:206445 - 4,10,11-trihydroxyguaiane

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ChEBI ID	CHEBI:206445
ChEBI Name	4,10,11-trihydroxyguaiane
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H28O3
Net Charge	0
Average Mass	256.386
Monoisotopic Mass	256.20384
SMILES	CC(C)(O)[C@@H]1CC[C@](C)(O)[C@H]2CC[C@](C)(O)[C@H]2C1
InChI	InChI=1S/C15H28O3/c1-13(2,16)10-5-7-14(3,17)11-6-8-15(4,18)12(11)9-10/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m1/s1
InChIKey	QVJGZOYSLNPPIA-SQLGEJSKSA-N

Species of Metabolite	Component	Source	Comments
Penicillium thomii (ncbitaxon:36647)	-	DOI (10.1007/s10600-017-1972-9)

ChEBI Ontology

Outgoing Relation(s)
	4,10,11-trihydroxyguaiane (CHEBI:206445) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,3aS,4S,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol